5-{2-[(2-fluoro-4-hydroxyphenyl)amino]ethenyl}-3-phenyl-1,2-oxazole-4-carbonitrile

5-{2-[(2-fluoro-4-hydroxyphenyl)amino]ethenyl}-3-phenyl-1,2-oxazole-4-carbonitrile

CAS: 303995-76-8

Formula: C18H12FN3O2

SMILES: OC1=CC(F)=C(NC=CC2=C(C#N)C(=NO2)C2=CC=CC=C2)C=C1

IUPAC: 5-{2-[(2-fluoro-4-hydroxyphenyl)amino]ethenyl}-3-phenyl-1,2-oxazole-4-carbonitrile

InChI: InChI=1S/C18H12FN3O2/c19-15-10-13(23)6-7-16(15)21-9-8-17-14(11-20)18(22-24-17)12-4-2-1-3-5-12/h1-10,21,23H

Composition: C (67.29%), H (3.76%), F (5.91%), N (13.08%), O (9.96%)

Molar Mass: 321.311

Atom Count: 36

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.091354801
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LGEAEWHDSGDHIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.72
Topological Polar Surface Area	82.08
Polarizability	33.53
Ring Count	3
Rotatable Bond Count	4

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